Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.55 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.49 |
| ▸ | HRH1 | P35367 | 3/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.49 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.49 |
| ▸ | HRH2 | P25021 | 2/20 | 0.49 |
| ▸ | HTR2A | P28223 | 2/20 | 0.49 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14060543 | 0.87 | ALDH1A1 (0.69) | S1PR3ALDH1A1CYP1A2LMNANPSR1 | |
| SCHEMBL17858363 | 0.86 | S1PR1 (0.56) | S1PR1S1PR3ALDH1A1CYP1A2LMNA | |
| SCHEMBL28144224 | 0.84 | ALDH1A1 (0.54) | S1PR1S1PR3ALDH1A1CYP1A2LMNA | |
| SCHEMBL28251775 | 0.82 | TSHR (0.56) | ALDH1A1CYP1A2LMNANPSR1SLC6A3 | |
| SCHEMBL11822715 | 0.78 | S1PR1 (0.48) | S1PR1S1PR3ALDH1A1CYP1A2LMNA | |
| SCHEMBL4441209 | 0.78 | L3MBTL1 (0.51) | S1PR1S1PR3ALDH1A1CYP1A2NPSR1 | |
| SCHEMBL28419252 | 0.78 | BRD4 (0.55) | S1PR1S1PR3SLC6A3CHRM2SLC6A2 | |
| SCHEMBL10882007 | 0.77 | BRD4 (0.63) | S1PR1S1PR3CYP1A2LMNABLM | |
| SCHEMBL15470472 | 0.75 | CHRM2 (0.55) | S1PR1S1PR3ALDH1A1LMNABLM | |
| SCHEMBL21246926 | 0.75 | SLC6A2 (0.51) | S1PR1S1PR3ALDH1A1LMNABLM |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2349999-A1 | ALLOSTERIC PROTEIN KINASE MODULATORS | Universität des Saarlandes (DE) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010043711-A1 | ALLOSTERIC PROTEIN KINASE MODULATORS | UNIVERSITAET DES SAARLANDES (DE) | 2010-04-22 | — | — | WO | disclosed |